2-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone

C15H27N7O — CID 55409219

IUPAC2-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESCCCn1nnnc1CN1CCN(CC(=O)N2CCCC2)CC1
InChIInChI=1S/C15H27N7O/c1-2-5-22-14(16-17-18-22)12-19-8-10-20(11-9-19)13-15(23)21-6-3-4-7-21/h2-13H2,1H3
InChIKeySHTVPQIWTVBZHI-UHFFFAOYSA-N
MW321.43 g/mol
LogP-0.18
Rot. Bonds6

About 2-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone

2-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 55409219) has the molecular formula C15H27N7O and a molecular weight of 321.43 g/mol. Its IUPAC name is 2-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
PubChem CID55409219
Molecular FormulaC15H27N7O
Molecular Weight321.43 g/mol
Exact Mass321.23
IUPAC Name2-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESCCCn1nnnc1CN1CCN(CC(=O)N2CCCC2)CC1
InChIInChI=1S/C15H27N7O/c1-2-5-22-14(16-17-18-22)12-19-8-10-20(11-9-19)13-15(23)21-6-3-4-7-21/h2-13H2,1H3
InChIKeySHTVPQIWTVBZHI-UHFFFAOYSA-N
XLogP-0.18
TPSA70.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone (CID 55409219) is 2-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone is CCCn1nnnc1CN1CCN(CC(=O)N2CCCC2)CC1.
What is the InChIKey of 2-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is SHTVPQIWTVBZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N7O/c1-2-5-22-14(16-17-18-22)12-19-8-10-20(11-9-19)13-15(23)21-6-3-4-7-21/h2-13H2,1H3.
What are the key properties of 2-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
2-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 321.43 g/mol, XLogP of -0.18, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 55409219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).